Geometry & MOs

Info

ID:	383669
PubChem CID:	134975523
Reduced:	ClNSO3C8H8 (1)
Stoich.:	ABCD3E8F8 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	6.56
IP(EA), eV:	-10.04(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[(5-nitro-1,3-thiazol-2-yl)oxy]ethanamine

Drug info:

PubChemData

Smile

C1=C(N=C(S1)C(=O)CCCC(=O)O)Cl

DOS

IR

Vibrations